[2-(piperidin-1-ylmethyl)cyclopropyl] formate

C10H17NO2 — CID 87333362

IUPAC[2-(piperidin-1-ylmethyl)cyclopropyl] formate
SMILESO=COC1CC1CN1CCCCC1
InChIInChI=1S/C10H17NO2/c12-8-13-10-6-9(10)7-11-4-2-1-3-5-11/h8-10H,1-7H2
InChIKeyYANHCDHRSAPBMW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds4

About [2-(piperidin-1-ylmethyl)cyclopropyl] formate

[2-(piperidin-1-ylmethyl)cyclopropyl] formate (PubChem CID 87333362) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [2-(piperidin-1-ylmethyl)cyclopropyl] formate.

Molecular Properties

Compound Name[2-(piperidin-1-ylmethyl)cyclopropyl] formate
PubChem CID87333362
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[2-(piperidin-1-ylmethyl)cyclopropyl] formate
SMILESO=COC1CC1CN1CCCCC1
InChIInChI=1S/C10H17NO2/c12-8-13-10-6-9(10)7-11-4-2-1-3-5-11/h8-10H,1-7H2
InChIKeyYANHCDHRSAPBMW-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-1-ylmethyl)cyclopropyl] formate?
The IUPAC name of [2-(piperidin-1-ylmethyl)cyclopropyl] formate (CID 87333362) is [2-(piperidin-1-ylmethyl)cyclopropyl] formate.
What is the SMILES notation for [2-(piperidin-1-ylmethyl)cyclopropyl] formate?
The canonical SMILES for [2-(piperidin-1-ylmethyl)cyclopropyl] formate is O=COC1CC1CN1CCCCC1.
What is the InChIKey of [2-(piperidin-1-ylmethyl)cyclopropyl] formate?
The InChIKey is YANHCDHRSAPBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-8-13-10-6-9(10)7-11-4-2-1-3-5-11/h8-10H,1-7H2.
What are the key properties of [2-(piperidin-1-ylmethyl)cyclopropyl] formate?
[2-(piperidin-1-ylmethyl)cyclopropyl] formate has a molecular weight of 183.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-1-ylmethyl)cyclopropyl] formate is sourced from PubChem (CID 87333362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).